Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory
Zoe Cournia,Toby W. Allen,Toby W. Allen,Ioan Andricioaei,Bruno Antonny,Daniel Baum,Grace Brannigan,Nicolae-Viorel Buchete,Jason Deckman,Lucie Delemotte,Coral del Val,Ran Friedman,Paraskevi Gkeka,Hans-Christian Hege,Jérôme Hénin,Marina A. Kasimova,Marina A. Kasimova,Antonios Kolocouris,Michael L. Klein,Syma Khalid,M. Joanne Lemieux,Norbert Lindow,Mahua Roy,Jana Selent,Mounir Tarek,Mounir Tarek,Florentina Tofoleanu,Stefano Vanni,Sinisa Urban,David J. Wales,Jeremy C. Smith,Ana-Nicoleta Bondar +31 more
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TLDR
Current studies in computational and experimental membrane protein biophysics are presented, and how they address outstanding challenges in understanding the complex environmental effects on the structure, function, and dynamics of membrane proteins are shown.Abstract:
Membrane proteins mediate processes that are fundamental for the flourishing of biological cells. Membrane-embedded transporters move ions and larger solutes across membranes; receptors mediate communication between the cell and its environment and membrane-embedded enzymes catalyze chemical reactions. Understanding these mechanisms of action requires knowledge of how the proteins couple to their fluid, hydrated lipid membrane environment. We present here current studies in computational and experimental membrane protein biophysics, and show how they address outstanding challenges in understanding the complex environmental effects on the structure, function, and dynamics of membrane proteins.read more
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References
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The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity
Declan A. Doyle,João H.Morais Cabral,Richard A. Pfuetzner,Anling Kuo,Jacqueline M. Gulbis,Steven L. Cohen,Brian T. Chait,Roderick MacKinnon +7 more
TL;DR: The architecture of the pore establishes the physical principles underlying selective K+ conduction, which promotes ion conduction by exploiting electrostatic repulsive forces to overcome attractive forces between K+ ions and the selectivity filter.
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The weighted histogram analysis method for free-energy calculations on biomolecules. I: The method
TL;DR: The Weighted Histogram Analysis Method (WHAM) as mentioned in this paper is an extension of Ferrenberg and Swendsen's multiple histogram technique for complex biomolecular Hamiltonians.
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The MARTINI force field : Coarse grained model for biomolecular simulations
TL;DR: An improved and extended version of the coarse grained lipid model is presented, coined the MARTINI force field, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds to reproduce the free energies of these chemical building blocks.
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Naturally secreted oligomers of amyloid beta protein potently inhibit hippocampal long-term potentiation in vivo.
Dominic M. Walsh,Igor Klyubin,Julia V. Fadeeva,William K. Cullen,Roger Anwyl,Michael S. Wolfe,Michael J. Rowan,Dennis J. Selkoe +7 more
TL;DR: It is reported that natural oligomers of human Aβ are formed soon after generation of the peptide within specific intracellular vesicles and are subsequently secreted from the cell, indicating that synaptotoxic Aβ oligomers can be targeted therapeutically.
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Diffusible, nonfibrillar ligands derived from Aβ1–42 are potent central nervous system neurotoxins
Mary P. Lambert,A. K. Barlow,Brett A. Chromy,C. Edwards,R. Freed,M. Liosatos,Todd E. Morgan,Irina Rozovsky,Barbara L. Trommer,Kirsten L. Viola,Pat Wals,Chuan Zhang,Caleb E. Finch,Grant A. Krafft,William L. Klein +14 more
TL;DR: It is hypothesized that impaired synaptic plasticity and associated memory dysfunction during early stage Alzheimer's disease and severe cellular degeneration and dementia during end stage could be caused by the biphasic impact of Abeta-derived diffusible ligands acting upon particular neural signal transduction pathways.